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MCULE-1779938815-0
Structure
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MCULE-5202622886-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-1779938815-0.sdf |
| SMILES | MCULE-1779938815-0.smiles |
| Standard InChI | MCULE-1779938815-0.inchi |
| InChIKey | MCULE-1779938815-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489120658 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1527.215 |
| logP | 7.106 |
| H-bond acceptors | 35 |
| H-bond donors | 8 |
| Rotatable bonds | 36 |
| PSA | 536.49 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 360.9034 |
| Atoms | 165 |
| Rings | 10 |
| Heavy atoms | 111 |
| Hydrogen atoms | 54 |
| Heteroatoms | 35 |
| N/O atoms | 35 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 10 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 10 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
